data_global _amcsd_formula_title 'K Mo2 O12 P3' loop_ _publ_author_name 'Leclaire A' 'Raveau B' _journal_name_full 'Acta Crystallographica, Section C' _journal_volume 44 _journal_year 1988 _journal_page_first 226 _journal_page_last 229 _publ_section_title ; Small Atomic Displacements in the Molybdenophospates A Mo2 P3 O12 (A= K, Rb, Tl) _cod_database_code 1001361 ; _database_code_amcsd 0010065 _chemical_formula_sum 'Mo2 K P3 O12' _cell_length_a 17.6398 _cell_length_b 9.1761 _cell_length_c 12.3000 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1990.934 _exptl_crystal_density_diffrn 3.442 _symmetry_space_group_name_H-M 'P b n m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,y,1/2-z' '-x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' '1/2-x,1/2+y,z' '1/2+x,1/2-y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Mo1 0.12134 0.02863 0.10175 Mo2 0.12450 0.47391 0.60141 K1 0.10031 0.66689 0.25000 K2 0.08105 0.84247 0.75000 P1 0.01489 0.74720 0.00178 P2 0.20556 0.35957 0.12961 P3 0.19862 0.12906 0.63085 O1 0.10472 0.02559 0.25000 O2 0.10652 0.48839 0.75000 O3 0.05640 -0.15278 0.08164 O4 0.07186 0.66286 0.56816 O5 0.15340 0.45462 0.43975 O6 0.14051 0.03630 -0.06255 O7 0.19308 0.19962 0.11840 O8 0.18794 0.29250 0.62266 O9 0.21839 0.59600 0.61991 O10 0.21117 -0.11109 0.11836 O11 0.03343 0.16459 0.07897 O12 0.02990 0.35452 0.57243 O13 0.17997 0.40904 0.25000 O14 0.17094 0.08079 0.75000